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3.alpha.,12.alpha.-Dihydroxy-ent-8(14),15-isopimaradien-18-al
SpectraBase Compound ID 1hgdYWYHdTj
InChI InChI=1S/C20H30O3/c1-5-18(2)11-13-6-7-15-19(3,14(13)10-17(18)23)9-8-16(22)20(15,4)12-21/h5,11-12,14-17,22-23H,1,6-10H2,2-4H3/t14-,15+,16-,17+,18+,19+,20-/m1/s1
InChIKey FLRZSIWHIJTYQM-JUSAMEGKSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHn84ukqBH
Name 3.alpha.,12.alpha.-Dihydroxy-ent-8(14),15-isopimaradien-18-al
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-5-18(2)11-13-6-7-15-19(3,14(13)10-17(18)23)9-8-16(22)20(15,4)12-21/h5,11-12,14-17,22-23H,1,6-10H2,2-4H3/t14-,15+,16-,17+,18+,19+,20-/m1/s1
InChIKey FLRZSIWHIJTYQM-JUSAMEGKSA-N
Instrument Name Finnigan/MAT 90/95
Ionization Type EI
Literature Reference DOI 10.1021/np0202475
Molecular Weight 318.457 g/mol
Optical Rotation [a]D23 = +7.0 (c = 0.50, CHCl3)
Reported Formula C20H30O3
SMILES O[C@]1([C@@]([C@]2(CCC3=C[C@]([C@](C[C@]3([C@@]2(CC1)C)[H])(O)[H])(C)C=C)[H])(C=O)C)[H]
SPLASH splash10-0563-3920000000-2494739900f5abead658
Source of Spectrum G4-65-1281-1
Wiley ID 1883873